SCHEMBL92544

SCHEMBL92544

COc1cc(C)ccc1NC(=O)c1nsc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.58
POLB P06746 4/20 0.57
TP53 P04637 10/20 0.56
LMNA P02545 5/20 0.56
RXFP1 Q9HBX9 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL92534 0.85 MAPT (0.65) MAPTPOLBTP53LMNASMN1; SMN2
SCHEMBL92531 0.83 MAPT (0.60) MAPTPOLBTP53LMNARXFP1
SCHEMBL92533 0.83 MAPT (0.60) MAPTPOLBTP53LMNASMN1; SMN2
SCHEMBL93045 0.83 MAPT (0.57) MAPTPOLBTP53LMNARXFP1
SCHEMBL91765 0.78 PIN1 (0.53) MAPTTP53SMN1; SMN2
SCHEMBL14626973 0.77 MAPT (0.55) MAPTPOLBTP53LMNARXFP1
SCHEMBL91568 0.77 EPHX1 (0.49) MAPTPOLBTP53LMNASMN1; SMN2
SCHEMBL92253 0.77 HIF1A (0.76) MAPTLMNASMN1; SMN2
SCHEMBL91601 0.76 KDM4E (0.54) MAPTPOLBTP53LMNA
SCHEMBL14591884 0.75 MAPT (0.54) MAPTPOLBTP53LMNARXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4775/4885POLB 3346/4885TP53 4440/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885POLB 3839/4885TP53 4330/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885POLB 3232/4885TP53 4578/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.